## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
L |
178 |
52 |
11452 |
◊ |
H |
x,y,z |
1_555 |
175 |
51 |
11407 |
1581.5 |
-23.8 |
0.038 |
12 |
1 |
0 |
0.789 |
2 |
|
D |
179 |
52 |
11497 |
◊ |
C |
x,y,z |
1_555 |
175 |
53 |
11308 |
1577.5 |
-22.8 |
0.047 |
12 |
0 |
0 |
0.789 |
Average: |
1579.5 |
-23.3 |
0.042 |
12 |
1 |
0 |
0.789 |
2 |
3 |
|
L |
72 |
25 |
11452 |
◊ |
D |
x,y,z |
1_555 |
79 |
27 |
11497 |
689.7 |
0.8 |
0.714 |
10 |
1 |
0 |
0.000 |
3 |
4 |
|
C |
60 |
19 |
11308 |
◊ |
B |
x,y,z |
1_555 |
58 |
15 |
11758 |
531.9 |
-5.9 |
0.299 |
7 |
3 |
0 |
0.018 |
5 |
|
H |
59 |
19 |
11407 |
◊ |
A |
x,y,z |
1_555 |
56 |
15 |
11805 |
518.8 |
-5.7 |
0.281 |
7 |
2 |
0 |
0.018 |
Average: |
525.3 |
-5.8 |
0.290 |
7 |
3 |
0 |
0.018 |
4 |
6 |
|
C |
58 |
14 |
11308 |
◊ |
B |
-x+1/2,-y-1,z-1/2 |
2_544 |
46 |
16 |
11758 |
501.1 |
-4.1 |
0.288 |
7 |
0 |
0 |
0.000 |
7 |
|
A |
46 |
16 |
11805 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
56 |
14 |
11407 |
494.5 |
-3.9 |
0.233 |
5 |
0 |
0 |
0.000 |
Average: |
497.8 |
-4.0 |
0.260 |
6 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
51 |
19 |
11758 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
41 |
14 |
11452 |
417.9 |
-1.0 |
0.582 |
5 |
0 |
0 |
0.000 |
6 |
9 |
|
A |
45 |
16 |
11805 |
x |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
40 |
15 |
11805 |
413.9 |
-3.5 |
0.349 |
2 |
1 |
0 |
0.000 |
7 |
10 |
|
L |
36 |
11 |
11452 |
◊ |
A |
x,y,z |
1_555 |
31 |
12 |
11805 |
337.0 |
0.6 |
0.657 |
7 |
2 |
0 |
0.006 |
11 |
|
D |
34 |
10 |
11497 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
11758 |
300.4 |
-1.2 |
0.507 |
3 |
0 |
0 |
0.006 |
Average: |
318.7 |
-0.3 |
0.582 |
5 |
1 |
0 |
0.006 |
8 |
12 |
|
H |
17 |
6 |
11407 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
16 |
6 |
11497 |
178.5 |
-1.7 |
0.390 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
H |
18 |
7 |
11407 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
19 |
6 |
11758 |
172.7 |
-1.1 |
0.443 |
3 |
2 |
0 |
0.000 |
10 |
14 |
|
C |
24 |
8 |
11308 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
17 |
6 |
11407 |
165.8 |
-1.8 |
0.483 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
L |
14 |
7 |
11452 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
15 |
8 |
11497 |
134.0 |
-1.7 |
0.319 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[NAG]B:1701 |
11 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
24 |
10 |
11758 |
131.8 |
3.0 |
0.374 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[NAG]A:1701 |
9 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
20 |
8 |
11805 |
127.7 |
3.7 |
0.527 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]D:302 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
19 |
10 |
11497 |
113.1 |
4.0 |
0.484 |
5 |
0 |
0 |
0.000 |
15 |
19 |
|
H |
16 |
7 |
11407 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
5 |
11758 |
112.0 |
0.5 |
0.682 |
1 |
0 |
0 |
0.000 |
20 |
|
A |
4 |
2 |
11805 |
◊ |
C |
-x+1/2,-y-1,z-1/2 |
2_544 |
3 |
1 |
11308 |
29.2 |
0.1 |
0.466 |
0 |
0 |
0 |
0.000 |
Average: |
70.6 |
0.3 |
0.574 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[EDO]A:1707 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
11805 |
111.7 |
2.8 |
0.410 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
[EDO]L:302 |
4 |
1 |
183 |
f |
L |
x,y,z |
1_555 |
18 |
10 |
11452 |
111.6 |
4.2 |
0.502 |
6 |
0 |
0 |
0.000 |
18 |
23 |
|
[EDO]B:1705 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
11758 |
111.3 |
2.9 |
0.418 |
2 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]B:1706 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
11758 |
110.6 |
3.1 |
0.421 |
3 |
0 |
0 |
0.000 |
20 |
25 |
|
[EDO]A:1706 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
11805 |
109.4 |
3.0 |
0.426 |
3 |
0 |
0 |
0.000 |
21 |
26 |
|
[EDO]D:301 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
11497 |
92.9 |
3.1 |
0.451 |
2 |
0 |
0 |
0.000 |
22 |
27 |
|
[EDO]C:302 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
11308 |
81.7 |
2.0 |
0.416 |
1 |
0 |
0 |
0.000 |
23 |
28 |
|
[CL]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
11308 |
76.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.321 |
29 |
|
[CL]H:301 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
15 |
8 |
11407 |
75.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.321 |
Average: |
76.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.321 |
24 |
30 |
|
[EDO]A:1705 |
4 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
13 |
3 |
11452 |
71.8 |
2.4 |
0.441 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[EDO]C:302 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
11497 |
71.8 |
1.1 |
0.675 |
1 |
0 |
0 |
0.000 |
26 |
32 |
|
[EDO]H:302 |
3 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
11 |
6 |
11407 |
70.2 |
2.3 |
0.296 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[EDO]A:1705 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11805 |
66.8 |
0.7 |
0.508 |
1 |
0 |
0 |
0.000 |
28 |
34 |
|
[CL]L:301 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
13 |
5 |
11452 |
58.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.171 |
29 |
35 |
|
[NAG]A:1701 |
6 |
1 |
364 |
◊ |
L |
x,y,z |
1_555 |
4 |
3 |
11452 |
49.1 |
0.4 |
0.210 |
1 |
0 |
0 |
0.000 |
30 |
36 |
|
C |
9 |
3 |
11308 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
3 |
3 |
11452 |
46.9 |
-0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[EDO]D:301 |
2 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
7 |
5 |
11452 |
45.1 |
0.8 |
0.508 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[CA]B:1703 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
11758 |
42.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.211 |
33 |
39 |
|
D |
4 |
2 |
11497 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
11758 |
36.9 |
0.7 |
0.784 |
0 |
1 |
0 |
0.000 |
34 |
40 |
|
[NAG]B:1701 |
4 |
1 |
364 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
11497 |
35.5 |
0.5 |
0.325 |
1 |
0 |
0 |
0.000 |
35 |
41 |
|
A |
4 |
1 |
11805 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
11758 |
34.4 |
-1.1 |
0.178 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
C |
3 |
2 |
11308 |
x |
C |
-x+1/2,-y-1,z-1/2 |
2_544 |
2 |
1 |
11308 |
32.8 |
1.1 |
0.925 |
2 |
0 |
0 |
0.000 |
37 |
43 |
|
[CL]L:301 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
11407 |
27.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.061 |
38 |
44 |
|
[EDO]A:1705 |
1 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
3 |
1 |
11407 |
20.3 |
-0.1 |
0.567 |
0 |
0 |
0 |
0.001 |
39 |
45 |
|
[CL]H:301 |
1 |
1 |
125 |
f |
[EDO]H:302 |
x,y,z |
1_555 |
1 |
1 |
186 |
15.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.029 |
40 |
46 |
|
B |
2 |
1 |
11758 |
◊ |
[NAG]A:1701 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
364 |
10.3 |
-0.0 |
0.290 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
B |
5 |
1 |
11758 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
11497 |
8.6 |
-0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
|